N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methyl-benzamide CAS Name: N-[2-[3-[(3,4-dichlorophenyl)methylthio]-1-indolyl]ethyl]-4-methylbenzamide IUPAC Name: N-[2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methylbenzamide Traditional Name: N-[2-[3-[(3,4-dichlorobenzyl)thio]indol-1-yl]ethyl]-4-methyl-benzamide Formula: C25H22Cl2N2OS MolecularWeight: 469.42598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H22Cl2N2OS/c1-17-6-9-19(10-7-17)25(30)28-12-13-29-15-24(20-4-2-3-5-23(20)29)31-16-18-8-11-21(26)22(27)14-18/h2-11,14-15H,12-13,16H2,1H3,(H,28,30)